N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine

C11H18Cl2N2 — CID 142129032

IUPACN'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(Cl)/C(Cl)=C\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H18Cl2N2/c1-9(8-11(13)10(2)12)15(5)7-6-14(3)4/h8H,1-2,6-7H2,3-5H3/b11-8+
InChIKeyVHZHMOUMMXLCSP-DHZHZOJOSA-N
MW249.18 g/mol
LogP2.87
Rot. Bonds6

About N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 142129032) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.18 g/mol. Its IUPAC name is N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID142129032
Molecular FormulaC11H18Cl2N2
Molecular Weight249.18 g/mol
Exact Mass248.08
IUPAC NameN'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(Cl)/C(Cl)=C\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H18Cl2N2/c1-9(8-11(13)10(2)12)15(5)7-6-14(3)4/h8H,1-2,6-7H2,3-5H3/b11-8+
InChIKeyVHZHMOUMMXLCSP-DHZHZOJOSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[(3E)-5-bromo-4-chlorohexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylcarbamate
CID 145269042
(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
CID 155721831
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
2,3-dichloro-5-methylocta-1,3,5-triene
CID 123372962
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
CID 142886831
CID 88826921
CID 88826921
CID 173338058
CID 173338058
CID 175787026
CID 175787026
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
N,N,N',N'-tetramethylethane-1,2-diamine;tin(2+);dichloride
CID 174892768
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939

Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 142129032) is N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is C=C(Cl)/C(Cl)=C\C(=C)N(C)CCN(C)C.
What is the InChIKey of N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is VHZHMOUMMXLCSP-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H18Cl2N2/c1-9(8-11(13)10(2)12)15(5)7-6-14(3)4/h8H,1-2,6-7H2,3-5H3/b11-8+.
What are the key properties of N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 249.18 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 142129032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).